Research workbench
Crystal structure of beta-klotho in complex with FGF21CT
Analyse Crystal structure of beta-klotho in complex with FGF21CT in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5VAQ
- Type
- protein
- Length
- 1,005 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-klotho; NB914; Fibroblast growth factor 21
- UniProt
- Q86Z14, Q9NSA1
- Ligands
- NAG
- Pockets
- 10 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-klotho | protein | 861 | 46% helix, 17% strand | Q86Z14 |
| B | NB914 | protein | 120 | 10% helix, 50% strand | — |
| C | Fibroblast growth factor 21 | protein | 24 | 0% helix, 4% strand | Q9NSA1 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 474 | 0.71 | 0.81 | 45 | empty |
| 2 | 51 | 0.70 | 0.98 | 23 | empty |
| 3 | 133 | 0.53 | 0.81 | 33 | empty |
| 4 | 215 | 0.50 | 0.75 | 40 | empty |
| 5 | 102 | 0.47 | 0.80 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–C · 1405 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 622 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 5VAQ · Crystal Structure of Beta-Klotho in Complex with FGF21CT · the same entry in another collection · chain A against A, TM-score 1.00
- Q86Z14 · AlphaFold monomer V2.0 prediction for beta-klotho (Q86Z14) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q9NSA1 · AlphaFold monomer V2.0 prediction for fibroblast growth factor 21 (Q9NSA1) · a predicted model of the same protein · chain C against A, TM-score 0.36
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q86Z14
- Every structure of UniProt Q9NSA1
- Elsewhere: RCSB PDB 5VAQ · PDBe 5VAQ · UniProt Q86Z14 · UniProt Q9NSA1
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